SCHEMBL7166173

SCHEMBL7166173

CCOC(OCC)[C@@H](N)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC7A5 Q01650 1/20 0.37
THRB P10828 1/20 0.36
ANPEP P15144 6/20 0.35
ERAP1 Q9NZ08 2/20 0.35
ERAP2 Q6P179 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
GMNN O75496 1/20 0.32
MAPT P10636 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LAP3 P28838 2/20 0.31
DNPEP Q9ULA0 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5662268 1.00 TSHR (0.41) TSHRLMNAALDH1A1MAPK1SLC7A5
SCHEMBL9546948 0.78 LMNA (0.42) TSHRLMNAALDH1A1MAPK1THRB
SCHEMBL1203940 0.76 TSHR (0.43) TSHRLMNAALDH1A1MAPK1SLC7A5
SCHEMBL1204837 0.76 TSHR (0.43) TSHRLMNAALDH1A1MAPK1SLC7A5
SCHEMBL14343956 0.76 TSHR (0.43) TSHRLMNAALDH1A1MAPK1SLC7A5
SCHEMBL1927205 0.76
SCHEMBL1285795 0.75 LMNA (0.47) LMNAALDH1A1THRB
SCHEMBL379036 0.75 THRB (0.42) LMNATHRB
SCHEMBL288820 0.75 LMNA (0.47) LMNAALDH1A1THRB
Hydrochloric Acid SCHEMBL1927803 0.74 LMNA (0.41) TSHRLMNAALDH1A1MAPK1SLC7A5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789578-B1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON INC (US) 2003-06-04 EP disclosed
EP-0789578-A4 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON INC (US) 2000-09-20 EP disclosed
US-5990083-A Multicatalytic protease inhibitors CEPHALON, INC. (US) 1999-11-23 US disclosed
US-5830870-A PREVENT LOSS OF MUSCLE MASS CEPHALON, INC. (US) 1998-11-03 US disclosed
EP-0789578-A1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON, INC. (US) 1997-08-20 EP disclosed
US-5614649-A TREATMENT OF MUSCULAR DISORDERS, SUBSTITUTED GUANIDINES CEPHALON, INC. (US) 1997-03-25 US disclosed
US-5550262-A TREATMENT OF MUSCLES WASTING DISEASES CEPHALON, INC. (US) 1996-08-27 US disclosed
WO-1996014857-A1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON, INC. (US) 1996-05-23 WO disclosed